(1s 2 2s 1 4d 1 ) 3 D Si 10+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3242.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4d- electron | |
| 1 | 3d | 3.133558 | 1.38976025 |
| 2 | 4d | 2.733457 | -1.88819414 |
| 3 | 3d | 7.062011 | .01609056 |
| 4 | 4d | 13.395704 | -.00129214 |
| 5 | 5d | 2.133762 | .00389661 |
| ORB.ENERGY,a.u. | -3.833800 | ||
| NORM | 1.000000 | < R > | 1.880246 | < R2 > | 4.041959 | < 1/R > | .700281 | < 1/R**2 > | .792770 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 11.495915 | .41890920 |
| 2 | 2s | 6.010557 | -.80020345 |
| 3 | 3s | 7.080468 | -.30445948 |
| 4 | 5s | 12.344117 | -.02579872 |
| 5 | 4s | 25.231618 | .00636375 |
| 6 | 5s | 33.541752 | -.00164350 |
| 7 | 4s | 4.672599 | .00067024 |
| 8 | 3s | 60.073802 | .00004859 |
| ORB.ENERGY,a.u. | -18.562000 | ||
| NORM | 1.000000 | < R > | .472095 | < R2 > | .259926 | < 1/R > | 3.119303 | < 1/R**2 > | 39.224486 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 13.409288 | .93610232 |
| 2 | 1s | 21.386376 | .05188548 |
| 3 | 2s | 16.518361 | .01651857 |
| 4 | 3s | 9.841910 | .00159533 |
| 5 | 4s | 56.409803 | -.00049285 |
| 6 | 5s | 75.476980 | .00018052 |
| 7 | 5s | 6.667481 | .00009802 |
| ORB.ENERGY,a.u. | -84.439000 |
| NORM | 1.000000 | < R > | .110245 | < R2 > | .016272 | < 1/R > | 13.675250 | < 1/R**2 > | 376.420695 |
Total Energy= -210.46735264 a.u.
Kinetic Energy= 210.37110491 a.u.
Potential Energy= -420.83845755 a.u.
Virial Ratio = -2.00045751